SCHEMBL950224

SCHEMBL950224

NC(=O)c1ccc2cc(S(=O)(=O)CCC(=O)O)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
HTT P42858 3/20 0.51
NPSR1 Q6W5P4 1/20 0.50
LCK P06239 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
PLAU P00749 2/20 0.42
CA2 P00918 1/20 0.41
POLB P06746 2/20 0.41
HSD11B1 P28845 1/20 0.40
APEX1 P27695 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7826055 0.81 ALDH1A1 (0.68) ALDH1A1HTTNPSR1KDM4EHPGD
SCHEMBL950589 0.80 ALDH1A1 (0.44) ALDH1A1HTTNPSR1LCKKDM4E
SCHEMBL947731 0.79 ALDH1A1 (0.56) ALDH1A1HTTNPSR1KDM4EHPGD
SCHEMBL948719 0.79 ALDH1A1 (0.56) ALDH1A1HTTNPSR1KDM4EHPGD
Sebacic Acid SCHEMBL28794131 0.76 LCK (0.56) ALDH1A1LCKHPGDPLAU
SCHEMBL950209 0.75 ALDH1A1 (0.52) ALDH1A1HTTNPSR1KDM4EHPGD
SCHEMBL947223 0.75 ALDH1A1 (0.52) ALDH1A1HTTNPSR1KDM4EHPGD
SCHEMBL948303 0.74 KDM4E (0.78) ALDH1A1HTTNPSR1KDM4EHPGD
SCHEMBL12106076 0.74 HTT (0.62) ALDH1A1HTTNPSR1KDM4EPOLB
SCHEMBL7869978 0.74 HTT (0.62) ALDH1A1HTTNPSR1KDM4ECA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 ALDH1A1 2246/4885HTT 1774/4885NPSR1 538/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 ALDH1A1 2316/4885HTT 2246/4885NPSR1 818/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.